SCHEMBL2116956

SCHEMBL2116956

CC(C(=O)O)c1ccc(C(F)(F)F)c(N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 15/20 0.56
AKR1C2 P52895 15/20 0.56
AKR1C4 P17516 2/20 0.49
AKR1C1 Q04828 2/20 0.49
PTGS1 P23219 5/20 0.44
PTGS2 P35354 4/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SLC22A6 Q4U2R8 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
HIF1A Q16665 2/20 0.44
FABP2 P12104 1/20 0.44
TSHR P16473 1/20 0.44
ADRA2B P18089 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR2C P28335 1/20 0.44
DRD3 P35462 1/20 0.44
CYP1A2 P05177 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11270744 0.87 AKR1C3 (0.59) AKR1C3AKR1C2AKR1C4AKR1C1PTGS1
SCHEMBL30428628 0.85 AKR1C3 (0.64) AKR1C3AKR1C2AKR1C4AKR1C1PTGS1
SCHEMBL298387 0.82 AKR1C3 (0.68) AKR1C3AKR1C2AKR1C4AKR1C1PTGS1
SCHEMBL29009950 0.81 AKR1C3 (0.64) AKR1C3AKR1C2AKR1C4AKR1C1PTGS1
SCHEMBL24987718 0.79 GAA (0.52) AKR1C3AKR1C2PTGS1MAPTLMNA
SCHEMBL1002973 0.79 AKR1C3 (0.50) AKR1C3AKR1C2AKR1C4AKR1C1PTGS1
SCHEMBL1567845 0.79 AKR1C3 (0.63) AKR1C3AKR1C2AKR1C4AKR1C1PTGS1
SCHEMBL732665 0.78 AKR1C3 (0.55) AKR1C3AKR1C2AKR1C4AKR1C1PTGS1
SCHEMBL29009770 0.77 AKR1C3 (0.59) AKR1C3AKR1C2AKR1C4AKR1C1PTGS1
SCHEMBL1590732 0.77 AKR1C3 (0.72) AKR1C3AKR1C2AKR1C4AKR1C1PTGS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318729-B2 Phenylacetic acid compound ONO PHARMACEUTICAL CO., LTD. (JP) 2012-11-27 US disclosed
US-20120094990-A1 PHENYLACETIC ACID COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120094990-A1 PHENYLACETIC ACID COMPOUND PC, PAH, PDHA2 AKR1C3 14/4885AKR1C2 34/4885AKR1C4 23/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.